2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide
TL;DR: 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide (CAS 314022-79-2) is a chemical compound with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide
Also Known As: 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide, 2-Chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-4-nitrobenzamide, 2-Chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-4-nitrobenzamide #, 2-Chloro-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-nitro-benzamide, (2-chloro-4-nitrophenyl)-N-(3-cyano-4,5-dimethyl(2-thienyl))carboxamide
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 314022-79-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C |
| InChIKey | MRMREMLEAFELJA-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide (CAS 314022-79-2), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide
Property Insights of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide
The XLogP value of 4.3 indicates that 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide?
The CAS number of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide is 314022-79-2.
What is the molecular formula of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide?
The molecular formula of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide is C14H10ClN3O3S.
What is the molecular weight of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide?
The molecular weight of 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide is 335.01 g/mol.
Where can I buy 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide?
You can request a quote for 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.